oxidooxysulfonyl sulfate;bis(tetramethylazanium)

C8H24N2O8S2 — CID 87252541

IUPACoxidooxysulfonyl sulfate;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)O[O-]
InChIInChI=1S/2C4H12N.H2O8S2/c2*1-5(2,3)4;1-7-10(5,6)8-9(2,3)4/h2*1-4H3;1H,(H,2,3,4)/q2*+1;/p-2
InChIKeyJSMJKYUJTPDBNR-UHFFFAOYSA-L
MW340.42 g/mol
LogP-2.36
Rot. Bonds3

About oxidooxysulfonyl sulfate;bis(tetramethylazanium)

oxidooxysulfonyl sulfate;bis(tetramethylazanium) (PubChem CID 87252541) has the molecular formula C8H24N2O8S2 and a molecular weight of 340.42 g/mol. Its IUPAC name is oxidooxysulfonyl sulfate;bis(tetramethylazanium).

Molecular Properties

Compound Nameoxidooxysulfonyl sulfate;bis(tetramethylazanium)
PubChem CID87252541
Molecular FormulaC8H24N2O8S2
Molecular Weight340.42 g/mol
Exact Mass340.10
IUPAC Nameoxidooxysulfonyl sulfate;bis(tetramethylazanium)
SMILESC[N+](C)(C)C.C[N+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)O[O-]
InChIInChI=1S/2C4H12N.H2O8S2/c2*1-5(2,3)4;1-7-10(5,6)8-9(2,3)4/h2*1-4H3;1H,(H,2,3,4)/q2*+1;/p-2
InChIKeyJSMJKYUJTPDBNR-UHFFFAOYSA-L
XLogP-2.36
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-2.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

platinum(4+);sulfonato sulfate
CID 57353350
azanium;tetramethylazanium;sulfate
CID 18925505
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555
CID 161087643
CID 161087643
aluminum;sodium;sulfonato sulfate
CID 159964180
sodium sulfooxysulfonyl sulfate
CID 175371917
copper;hydrazine;sulfonato sulfate
CID 158083856
methyl sulfate;tris(2-hydroxyethoxy)-methylazanium
CID 87130056
sodium tert-butyl oxido sulfate
CID 141117245
bis(2-hydroxyethyl(trimethyl)azanium);sulfonatooxy sulfate
CID 87575091
potassium sulfo sulfate
CID 157130711
dipotassium;sulfonatooxysulfonothioyl sulfate
CID 174554201

Frequently Asked Questions

What is the IUPAC name of oxidooxysulfonyl sulfate;bis(tetramethylazanium)?
The IUPAC name of oxidooxysulfonyl sulfate;bis(tetramethylazanium) (CID 87252541) is oxidooxysulfonyl sulfate;bis(tetramethylazanium).
What is the SMILES notation for oxidooxysulfonyl sulfate;bis(tetramethylazanium)?
The canonical SMILES for oxidooxysulfonyl sulfate;bis(tetramethylazanium) is C[N+](C)(C)C.C[N+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)O[O-].
What is the InChIKey of oxidooxysulfonyl sulfate;bis(tetramethylazanium)?
The InChIKey is JSMJKYUJTPDBNR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12N.H2O8S2/c2*1-5(2,3)4;1-7-10(5,6)8-9(2,3)4/h2*1-4H3;1H,(H,2,3,4)/q2*+1;/p-2.
What are the key properties of oxidooxysulfonyl sulfate;bis(tetramethylazanium)?
oxidooxysulfonyl sulfate;bis(tetramethylazanium) has a molecular weight of 340.42 g/mol, XLogP of -2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxidooxysulfonyl sulfate;bis(tetramethylazanium) is sourced from PubChem (CID 87252541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).